Phonons in deformable microporouscrystalline solids Auteur(s): Kuchta B, Formalik F., Rogacka J., Neimark Alexander V., Firlej L. (Article) Publié: Zeitschrift Für Kristallographie, vol. p.20182152 (2019) Ref HAL: hal-02116564_v1 DOI: 10.1515/zkri-2018-2152 WoS: 000476636700009 Exporter : BibTex | endNote 1 Citation Résumé: Phonons are quantum elastic excitations ofcrystalline solids. Classically, they correspond to thecollective vibrations of atoms in ordered periodic structures.They determine the thermodynamic properties ofsolids and their stability in the case of structural transformations.Here we review for the first time the existingexamples of the phonon analysis of adsorption-inducedtransformations occurring in microporous crystallinematerials. We discuss the role of phonons in determiningthe mechanism of the deformations. We point outthat phonon-based methodology may be used as a predictivetool in characterization of flexible microporousstructures; therefore, relevant numerical tools must bedeveloped. |